CID 61412

Allyl undecylenate

Structural Information

Molecular Formula

C₁₄H₂₄O₂

SMILES

C=CCCCCCCCCC(=O)OCC=C

InChI

InChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-14(15)16-13-4-2/h3-4H,1-2,5-13H2

InChIKey

VJOZUTGJXVDWDJ-UHFFFAOYSA-N

Compound name

prop-2-enyl undec-10-enoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 86
Patents: 224.17763 Da
Monoisotopic Mass: 4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	225.18491	157.7
[M+Na]+	247.16685	166.5
[M+NH4]+	242.21145	163.7
[M+K]+	263.14079	159.2
[M-H]-	223.17035	156.0
[M+Na-2H]-	245.15230	159.1
[M]+	224.17708	158.1
[M]-	224.17818	158.1

Literature stripe

literature stripe

Patent stripe

patents stripe